Information card for entry 4078900

Structure parameters

• Formula: C64 H72 Li8 O9
• Calculated formula: C64 H72 Li8 O9
• Title of publication: Self-Assembly of Charged Supramolecular Sandwiches Formed by Corannulene Tetraanions and Lithium Cations
• Authors of publication: Zabula, Alexander V.; Spisak, Sarah N.; Filatov, Alexander S.; Petrukhina, Marina A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5541
• a: 11.2041 ± 0.0011 Å
• b: 22.758 ± 0.002 Å
• c: 21.031 ± 0.002 Å
• α: 90°
• β: 92.144 ± 0.002°
• γ: 90°
• Cell volume: 5358.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No